ChemSpider 2D Image | [(1S,5R)-8,8-Dimethyl-2-azabicyclo[3.2.1]oct-1-yl]methanethiol | C10H19NS

[(1S,5R)-8,8-Dimethyl-2-azabicyclo[3.2.1]oct-1-yl]methanethiol

  • Molecular FormulaC10H19NS
  • Average mass185.330 Da
  • Monoisotopic mass185.123825 Da
  • ChemSpider ID29335065

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1S,5R)-8,8-Dimethyl-2-azabicyclo[3.2.1]oct-1-yl]methanethiol [ACD/IUPAC Name]
[(1S,5R)-8,8-Diméthyl-2-azabicyclo[3.2.1]oct-1-yl]méthanethiol [French] [ACD/IUPAC Name]
[(1S,5R)-8,8-Dimethyl-2-azabicyclo[3.2.1]oct-1-yl]methanthiol [German] [ACD/IUPAC Name]
2-Azabicyclo[3.2.1]octane-1-methanethiol, 8,8-dimethyl-, (1S,5R)- [ACD/Index Name]
(1S,5R)-(8,8-Dimethyl-2-aza-bicyclo[3.2.1]oct-1-yl)-methanethiol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 255.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 108.4±19.8 °C
Index of Refraction: 1.504
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 187.3±3.0 cm3

Click to predict properties on the Chemicalize site


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